title: Construction and application of a novel library: Fourier transform infrared wavelet coefficients library.
abstract: This article aims at designing a wavelet alternative to Fourier transform infrared spectra (FTIR). In order to select the most suitable wavelet parameters to perform, several decomposition levels and 53 wavelets were tested by trial and error approach, respectively. The result indicated that discrete meyer wavelet (dmey) associated with its third decomposition level was very efficient for this purpose. On the base of it, a novel library named as Fourier transform infrared wavelet coefficients library (FTIR-WC) has been constructed. Finally, two tools such as library search and structure elucidation were developed to evaluate the capability of the new library system. The results obtained were also compared with those from FTIR library by a variety of indices. The results suggested that the new library performed better but with less volume. This work is expected to propose a novel and practical strategy in infrared spectroscopic analysis.
authors.affiliation: College of Chemistry, Sichuan University, Chengdu, Sichuan 610064, PR China.
authors.forename: Fuyuan
authors.initials: F
authors.lastname: Tan
authors.forename: Xiaoyu
authors.initials: X
authors.lastname: Feng
authors.forename: Menglong
authors.initials: M
authors.lastname: Li
authors.forename: Zhimeng
authors.initials: Z
authors.lastname: Wang
authors.forename: Li
authors.initials: L
authors.lastname: Yang
authors.forename: Yizhou
authors.initials: Y
authors.lastname: Li
authors.forename: Yi
authors.initials: Y
authors.lastname: Feng
authors.forename: Fusheng
authors.initials: F
authors.lastname: Nie